SCHEMBL7049435

SCHEMBL7049435

CC(=O)c1cc(C)c(OC(=O)C2c3ccccc3N(CC(=O)OS(=O)(=O)C(F)(F)F)c3ccccc32)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7049410 0.90 MEN1 (0.34) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7046746 0.90 MEN1 (0.34) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7050778 0.86 PPARG (0.33) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7049801 0.85 MRGPRX4 (0.34) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL7043949 0.85 ALDH1A1 (0.35) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7047551 0.84 PPARG (0.37) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7047676 0.83 MEN1 (0.38) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7044723 0.82 CYP1A2 (0.36) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7048366 0.82 ACLY (0.33)
SCHEMBL7051084 0.82 PKM (0.40) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609885-B1 Acridinium compounds and conjugates thereof MOCHIDA PHARM CO LTD (JP) 2003-04-16 EP disclosed
US-5594112-A CHEMILUMINESCENCE LABEL MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
US-5438139-A Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
EP-0609885-A1 Acridinium compounds and conjugates thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP disclosed